N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide

C15H15N3O2S — CID 24984616

IUPACN-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide
SMILESCc1cc2c(-c3ccc(NS(C)(=O)=O)cc3)ccnc2[nH]1
InChIInChI=1S/C15H15N3O2S/c1-10-9-14-13(7-8-16-15(14)17-10)11-3-5-12(6-4-11)18-21(2,19)20/h3-9,18H,1-2H3,(H,16,17)
InChIKeyWPDHZQKGFNEVJJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.91
Rot. Bonds3

About N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide

N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide (PubChem CID 24984616) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide
PubChem CID24984616
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide
SMILESCc1cc2c(-c3ccc(NS(C)(=O)=O)cc3)ccnc2[nH]1
InChIInChI=1S/C15H15N3O2S/c1-10-9-14-13(7-8-16-15(14)17-10)11-3-5-12(6-4-11)18-21(2,19)20/h3-9,18H,1-2H3,(H,16,17)
InChIKeyWPDHZQKGFNEVJJ-UHFFFAOYSA-N
XLogP2.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide (CID 24984616) is N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide is Cc1cc2c(-c3ccc(NS(C)(=O)=O)cc3)ccnc2[nH]1.
What is the InChIKey of N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide?
The InChIKey is WPDHZQKGFNEVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-9-14-13(7-8-16-15(14)17-10)11-3-5-12(6-4-11)18-21(2,19)20/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide?
N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 24984616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).